This study explores the thermal conductivity of single-walled carbon nanotubes (SWCNTs), renowned for their exceptional properties and wide range of applications. Following an overview of their discovery, synthesis methods (arc discharge, laser ablation, chemical vapor deposition), and atomic structure and chirality, the focus shifts to how these characteristics influence their thermal behavior. Thermal transport, which is primarily phonon-mediated, is examined through various theoretical models (Boltzmann transport equation, ballistic transport, etc.) and computational approaches (molecular dynamics simulations, density functional theory), with particular attention to scattering mechanisms and key factors such as temperature and geometry. Non-equilibrium molecular dynamics (NEMD) simulations performed using the LAMMPS software further investigate the effects of length, diameter, and temperature on thermal conductivity. The results align with theoretical predictions and underscore the critical role of chirality and thermal saturation effects. This work highlights the significant potential of SWCNTs for advanced thermal management in nanoelectronic devices.

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Thermal Conductivity of Single-Walled Carbon Nanotubes (SWCNTs)

  • Chichaoui Bader,
  • Ourada Haddou,
  • Mourad Boutahir

摘要

This study explores the thermal conductivity of single-walled carbon nanotubes (SWCNTs), renowned for their exceptional properties and wide range of applications. Following an overview of their discovery, synthesis methods (arc discharge, laser ablation, chemical vapor deposition), and atomic structure and chirality, the focus shifts to how these characteristics influence their thermal behavior. Thermal transport, which is primarily phonon-mediated, is examined through various theoretical models (Boltzmann transport equation, ballistic transport, etc.) and computational approaches (molecular dynamics simulations, density functional theory), with particular attention to scattering mechanisms and key factors such as temperature and geometry. Non-equilibrium molecular dynamics (NEMD) simulations performed using the LAMMPS software further investigate the effects of length, diameter, and temperature on thermal conductivity. The results align with theoretical predictions and underscore the critical role of chirality and thermal saturation effects. This work highlights the significant potential of SWCNTs for advanced thermal management in nanoelectronic devices.